Geometry & MOs

Info

ID:	242727
PubChem CID:	99205886
Reduced:	BrNS2O6C15H20 (1)
Stoich.:	ABC2D6E15F20 (1)
Weight, g/mol:	394.98606
ΔH_f, kcal/mol:	-235.75
Dipole, Da:	5.99
IP(EA), eV:	-9.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1S)-1-cyclopropylethyl]-N-methyl-5-methylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1(CCCCC1)NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Br

DOS

IR

Vibrations